SCHEMBL3558458

SCHEMBL3558458

O=C(O)c1ccccc1CCCc1ccccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 3/20 0.48
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ELANE P08246 1/20 0.46
PRTN3 P24158 1/20 0.46
GAA P10253 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CCR9 P51686 2/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
TSHR P16473 1/20 0.44
MCL1 Q07820 1/20 0.43
BCL2A1 Q16548 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3565086 0.97 SLC16A3 (0.48) SLC16A3ALDH1A1KDM4EELANEPRTN3
SCHEMBL3555127 0.96 SLC16A3 (0.53) SLC16A3ALDH1A1KDM4EELANEPRTN3
SCHEMBL3554032 0.87 SLC16A3 (0.59) SLC16A3TSHR
SCHEMBL3551774 0.86 LMNA (0.58) SLC16A3ALDH1A1KDM4EGAALMNA
SCHEMBL15821484 0.85 ALDH1A1 (0.59) ALDH1A1KDM4EELANEPRTN3GAA
SCHEMBL3554581 0.85 KDM4E (0.54) SLC16A3ALDH1A1KDM4EKMT2AMEN1
SCHEMBL3555619 0.84 SLC16A3 (0.65) SLC16A3ALDH1A1KDM4EKMT2AMEN1
SCHEMBL3551918 0.84 MEN1 (0.50) SLC16A3ALDH1A1KMT2AMEN1MCL1
SCHEMBL3555224 0.83 ACLY (0.55) SLC16A3ALDH1A1KDM4EGAAHTT
SCHEMBL3558585 0.83 SLC16A3 (0.58) SLC16A3ALDH1A1KDM4EKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US claimed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US claimed
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes SLC5A1, ALDH7A1, ASS1 SLC16A3 425/4885ALDH1A1 61/4885KDM4E 1045/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.